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801303-28-6 | 4-CARBOETHOXYPHENYL CYCLOBUTYL KETONE
CAS No: 801303-28-6 Catalog No: AG005D8E MDL No:MFCD03841256
Product Description
Catalog Number:
AG005D8E
Chemical Name:
4-CARBOETHOXYPHENYL CYCLOBUTYL KETONE
CAS Number:
801303-28-6
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD03841256
IUPAC Name:
ethyl 4-(cyclobutanecarbonyl)benzoate
InChI:
InChI=1S/C14H16O3/c1-2-17-14(16)12-8-6-11(7-9-12)13(15)10-4-3-5-10/h6-10H,2-5H2,1H3
InChI Key:
JVGGVLGYEVKWJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)C1CCC1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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